4 Clustering and classification

Describe the work you have done this week and summarize your learning.

• Describe your work and results clearly.
• Assume the reader has an introductory course level understanding of writing and reading R code as well as statistical methods.
• Assume the reader has no previous knowledge of your data or the more advanced methods you are using.

4.1 Introducing the dataset

This chapter’s dataset consists of housing values in suburbs of Boston (the Boston data from the MASS package).

# access the MASS package
library(MASS)
# load the data
data("Boston")
# explore the dataset
str(Boston)

## 'data.frame':    506 obs. of  14 variables:
##  $ crim   : num  0.00632 0.02731 0.02729 0.03237 0.06905 ...
##  $ zn     : num  18 0 0 0 0 0 12.5 12.5 12.5 12.5 ...
##  $ indus  : num  2.31 7.07 7.07 2.18 2.18 2.18 7.87 7.87 7.87 7.87 ...
##  $ chas   : int  0 0 0 0 0 0 0 0 0 0 ...
##  $ nox    : num  0.538 0.469 0.469 0.458 0.458 0.458 0.524 0.524 0.524 0.524 ...
##  $ rm     : num  6.58 6.42 7.18 7 7.15 ...
##  $ age    : num  65.2 78.9 61.1 45.8 54.2 58.7 66.6 96.1 100 85.9 ...
##  $ dis    : num  4.09 4.97 4.97 6.06 6.06 ...
##  $ rad    : int  1 2 2 3 3 3 5 5 5 5 ...
##  $ tax    : num  296 242 242 222 222 222 311 311 311 311 ...
##  $ ptratio: num  15.3 17.8 17.8 18.7 18.7 18.7 15.2 15.2 15.2 15.2 ...
##  $ black  : num  397 397 393 395 397 ...
##  $ lstat  : num  4.98 9.14 4.03 2.94 5.33 ...
##  $ medv   : num  24 21.6 34.7 33.4 36.2 28.7 22.9 27.1 16.5 18.9 ...

The dataset contains 506 observations in 14 variables:

1. crim – per capita crime rate by town (numeric: from 0.00632 to 88.9762)
2. zn – proportion of residential land zoned for lots over 25,000 sq.ft. (numeric: from 0 to 100)
3. indus – proportion of non-retail business acres per town (numeric: from 0.46 to 27.74)
4. chas – Charles River dummy variable (binary: 1 if tract bounds river, 0 otherwise)
5. nox – nitrogen oxides concentration (parts per 10 million) (numeric: from 0.385 to 0.871)
6. rm – average number of rooms per dwelling (numeric: from 3.561 to 8.78)
7. age – proportion of owner-occupied units built prior to 1940 (numeric: 2.9 to 100)
8. dis – weighted mean of distances to five Boston employment centres (numeric: from 1.13 to 12.127)
9. rad – index of accessibility to radial highways (numeric: from 1 to 24)
10. tax – full-value property-tax rate per $10,000 (numeric: from 187 to 711)
11. ptratio – pupil-teacher ratio by town (numeric: from 12.6 to 22)
12. black – 1000(Bk - 0.63)^2 where Bk is the proportion of blacks by town (numeric: from 0.32 to 396.9)
13. lstat – lower status of the population (percent) (numeric: from 1.73 to 37.97)
14. medv – median value of owner-occupied homes in $1000s (numeric: from 5 to 50)

4.2 Graphical overview and summary

Show a graphical overview of the data and show summaries of the variables in the data. Describe and interpret the outputs, commenting on the distributions of the variables and the relationships between them. (0-2 points)

library(dplyr)

## 
## Attaching package: 'dplyr'

## The following object is masked from 'package:MASS':
## 
##     select

## The following objects are masked from 'package:stats':
## 
##     filter, lag

## The following objects are masked from 'package:base':
## 
##     intersect, setdiff, setequal, union

library(corrplot)

## corrplot 0.84 loaded

# explore the dataset
str(Boston)

## 'data.frame':    506 obs. of  14 variables:
##  $ crim   : num  0.00632 0.02731 0.02729 0.03237 0.06905 ...
##  $ zn     : num  18 0 0 0 0 0 12.5 12.5 12.5 12.5 ...
##  $ indus  : num  2.31 7.07 7.07 2.18 2.18 2.18 7.87 7.87 7.87 7.87 ...
##  $ chas   : int  0 0 0 0 0 0 0 0 0 0 ...
##  $ nox    : num  0.538 0.469 0.469 0.458 0.458 0.458 0.524 0.524 0.524 0.524 ...
##  $ rm     : num  6.58 6.42 7.18 7 7.15 ...
##  $ age    : num  65.2 78.9 61.1 45.8 54.2 58.7 66.6 96.1 100 85.9 ...
##  $ dis    : num  4.09 4.97 4.97 6.06 6.06 ...
##  $ rad    : int  1 2 2 3 3 3 5 5 5 5 ...
##  $ tax    : num  296 242 242 222 222 222 311 311 311 311 ...
##  $ ptratio: num  15.3 17.8 17.8 18.7 18.7 18.7 15.2 15.2 15.2 15.2 ...
##  $ black  : num  397 397 393 395 397 ...
##  $ lstat  : num  4.98 9.14 4.03 2.94 5.33 ...
##  $ medv   : num  24 21.6 34.7 33.4 36.2 28.7 22.9 27.1 16.5 18.9 ...

pairs(Boston)

# calculate the correlation matrix and round it
cor_matrix<-cor(Boston) 

# print the correlation matrix
cor_matrix %>% round(digits=2)

##          crim    zn indus  chas   nox    rm   age   dis   rad   tax ptratio
## crim     1.00 -0.20  0.41 -0.06  0.42 -0.22  0.35 -0.38  0.63  0.58    0.29
## zn      -0.20  1.00 -0.53 -0.04 -0.52  0.31 -0.57  0.66 -0.31 -0.31   -0.39
## indus    0.41 -0.53  1.00  0.06  0.76 -0.39  0.64 -0.71  0.60  0.72    0.38
## chas    -0.06 -0.04  0.06  1.00  0.09  0.09  0.09 -0.10 -0.01 -0.04   -0.12
## nox      0.42 -0.52  0.76  0.09  1.00 -0.30  0.73 -0.77  0.61  0.67    0.19
## rm      -0.22  0.31 -0.39  0.09 -0.30  1.00 -0.24  0.21 -0.21 -0.29   -0.36
## age      0.35 -0.57  0.64  0.09  0.73 -0.24  1.00 -0.75  0.46  0.51    0.26
## dis     -0.38  0.66 -0.71 -0.10 -0.77  0.21 -0.75  1.00 -0.49 -0.53   -0.23
## rad      0.63 -0.31  0.60 -0.01  0.61 -0.21  0.46 -0.49  1.00  0.91    0.46
## tax      0.58 -0.31  0.72 -0.04  0.67 -0.29  0.51 -0.53  0.91  1.00    0.46
## ptratio  0.29 -0.39  0.38 -0.12  0.19 -0.36  0.26 -0.23  0.46  0.46    1.00
## black   -0.39  0.18 -0.36  0.05 -0.38  0.13 -0.27  0.29 -0.44 -0.44   -0.18
## lstat    0.46 -0.41  0.60 -0.05  0.59 -0.61  0.60 -0.50  0.49  0.54    0.37
## medv    -0.39  0.36 -0.48  0.18 -0.43  0.70 -0.38  0.25 -0.38 -0.47   -0.51
##         black lstat  medv
## crim    -0.39  0.46 -0.39
## zn       0.18 -0.41  0.36
## indus   -0.36  0.60 -0.48
## chas     0.05 -0.05  0.18
## nox     -0.38  0.59 -0.43
## rm       0.13 -0.61  0.70
## age     -0.27  0.60 -0.38
## dis      0.29 -0.50  0.25
## rad     -0.44  0.49 -0.38
## tax     -0.44  0.54 -0.47
## ptratio -0.18  0.37 -0.51
## black    1.00 -0.37  0.33
## lstat   -0.37  1.00 -0.74
## medv     0.33 -0.74  1.00

# visualize the correlation matrix
corrplot(cor_matrix, method="circle", type="upper", cl.pos="b", tl.pos="d", tl.cex=0.6)

4.3 Standardizing

Standardize the dataset and print out summaries of the scaled data. How did the variables change? Create a categorical variable of the crime rate in the Boston dataset (from the scaled crime rate). Use the quantiles as the break points in the categorical variable. Drop the old crime rate variable from the dataset. Divide the dataset to train and test sets, so that 80% of the data belongs to the train set. (0-2 points)

# center and standardize variables
boston_scaled <- scale(Boston)

# summaries of the scaled variables
summary(boston_scaled)

##       crim                 zn               indus              chas        
##  Min.   :-0.419367   Min.   :-0.48724   Min.   :-1.5563   Min.   :-0.2723  
##  1st Qu.:-0.410563   1st Qu.:-0.48724   1st Qu.:-0.8668   1st Qu.:-0.2723  
##  Median :-0.390280   Median :-0.48724   Median :-0.2109   Median :-0.2723  
##  Mean   : 0.000000   Mean   : 0.00000   Mean   : 0.0000   Mean   : 0.0000  
##  3rd Qu.: 0.007389   3rd Qu.: 0.04872   3rd Qu.: 1.0150   3rd Qu.:-0.2723  
##  Max.   : 9.924110   Max.   : 3.80047   Max.   : 2.4202   Max.   : 3.6648  
##       nox                rm               age               dis         
##  Min.   :-1.4644   Min.   :-3.8764   Min.   :-2.3331   Min.   :-1.2658  
##  1st Qu.:-0.9121   1st Qu.:-0.5681   1st Qu.:-0.8366   1st Qu.:-0.8049  
##  Median :-0.1441   Median :-0.1084   Median : 0.3171   Median :-0.2790  
##  Mean   : 0.0000   Mean   : 0.0000   Mean   : 0.0000   Mean   : 0.0000  
##  3rd Qu.: 0.5981   3rd Qu.: 0.4823   3rd Qu.: 0.9059   3rd Qu.: 0.6617  
##  Max.   : 2.7296   Max.   : 3.5515   Max.   : 1.1164   Max.   : 3.9566  
##       rad               tax             ptratio            black        
##  Min.   :-0.9819   Min.   :-1.3127   Min.   :-2.7047   Min.   :-3.9033  
##  1st Qu.:-0.6373   1st Qu.:-0.7668   1st Qu.:-0.4876   1st Qu.: 0.2049  
##  Median :-0.5225   Median :-0.4642   Median : 0.2746   Median : 0.3808  
##  Mean   : 0.0000   Mean   : 0.0000   Mean   : 0.0000   Mean   : 0.0000  
##  3rd Qu.: 1.6596   3rd Qu.: 1.5294   3rd Qu.: 0.8058   3rd Qu.: 0.4332  
##  Max.   : 1.6596   Max.   : 1.7964   Max.   : 1.6372   Max.   : 0.4406  
##      lstat              medv        
##  Min.   :-1.5296   Min.   :-1.9063  
##  1st Qu.:-0.7986   1st Qu.:-0.5989  
##  Median :-0.1811   Median :-0.1449  
##  Mean   : 0.0000   Mean   : 0.0000  
##  3rd Qu.: 0.6024   3rd Qu.: 0.2683  
##  Max.   : 3.5453   Max.   : 2.9865

# class of the boston_scaled object
class(boston_scaled)

## [1] "matrix" "array"

# change the object to data frame
boston_scaled <- as.data.frame(boston_scaled)

# MASS, Boston and boston_scaled are available

# create a quantile vector of crim and print it
bins <- quantile(boston_scaled$crim)
bins

##           0%          25%          50%          75%         100% 
## -0.419366929 -0.410563278 -0.390280295  0.007389247  9.924109610

# create a categorical variable 'crime'
crime <- cut(boston_scaled$crim, breaks = bins, include.lowest = TRUE)

# look at the table of the new factor crime


# remove original crim from the dataset
boston_scaled <- dplyr::select(boston_scaled, -crim)

# add the new categorical value to scaled data
boston_scaled <- data.frame(boston_scaled, crime)

# boston_scaled is available

# number of rows in the Boston dataset 
n <- nrow(Boston)

# choose randomly 80% of the rows
ind <- sample(n,  size = n * 0.8)

# create train set
train <- boston_scaled[ind,]

# create test set 
test <- boston_scaled[-ind,]

# save the correct classes from test data
correct_classes <- test$crime

# remove the crime variable from test data
test <- dplyr::select(test, -crime)

4.4 Fitting LDA

Fit the linear discriminant analysis on the train set. Use the categorical crime rate as the target variable and all the other variables in the dataset as predictor variables. Draw the LDA (bi)plot. (0-3 points)

# MASS and train are available

# linear discriminant analysis
lda.fit <- lda(crime ~., data = train)

# print the lda.fit object
lda.fit

## Call:
## lda(crime ~ ., data = train)
## 
## Prior probabilities of groups:
## [-0.419,-0.411]  (-0.411,-0.39] (-0.39,0.00739]  (0.00739,9.92] 
##       0.2549505       0.2425743       0.2623762       0.2400990 
## 
## Group means:
##                         zn       indus        chas        nox         rm
## [-0.419,-0.411]  0.9029365 -0.88932021 -0.11943197 -0.8739121  0.3976901
## (-0.411,-0.39]  -0.0670005 -0.34719507 -0.03128211 -0.5812089 -0.1211675
## (-0.39,0.00739] -0.3642718  0.08706228  0.21052285  0.3037787  0.1714581
## (0.00739,9.92]  -0.4872402  1.01499462 -0.10997442  1.0464803 -0.4158317
##                        age        dis        rad        tax    ptratio
## [-0.419,-0.411] -0.9168368  0.8828127 -0.7031171 -0.7070222 -0.4655825
## (-0.411,-0.39]  -0.3637514  0.3972591 -0.5482663 -0.5233657 -0.1104910
## (-0.39,0.00739]  0.3534311 -0.3278239 -0.3913858 -0.3327825 -0.2247935
## (0.00739,9.92]   0.7901419 -0.8399970  1.6596029  1.5294129  0.8057784
##                      black       lstat        medv
## [-0.419,-0.411]  0.3881485 -0.77539465  0.45520972
## (-0.411,-0.39]   0.3218943 -0.13086175  0.03315704
## (-0.39,0.00739]  0.1461398 -0.03533208  0.24230610
## (0.00739,9.92]  -0.9442646  0.91955901 -0.76994452
## 
## Coefficients of linear discriminants:
##                 LD1          LD2         LD3
## zn       0.17167019  0.628142632 -0.94004920
## indus   -0.03563960 -0.178105629  0.42863061
## chas    -0.08560450 -0.083125963  0.02515788
## nox      0.31559115 -0.892264358 -1.31394178
## rm      -0.07650501 -0.042940783 -0.19864002
## age      0.32459680 -0.272415524 -0.02863541
## dis     -0.16065023 -0.248569219  0.29044541
## rad      3.23068404  0.850060919  0.21643214
## tax     -0.05138408  0.111051541  0.14844935
## ptratio  0.17859691 -0.094702398 -0.36471795
## black   -0.17206701 -0.002088826  0.09764910
## lstat    0.21310189 -0.350365645  0.44993538
## medv     0.16325724 -0.626583176 -0.09223818
## 
## Proportion of trace:
##    LD1    LD2    LD3 
## 0.9543 0.0358 0.0100

# the function for lda biplot arrows
lda.arrows <- function(x, myscale = 1, arrow_heads = 0.1, color = "red", tex = 0.75, choices = c(1,2)){
  heads <- coef(x)
  arrows(x0 = 0, y0 = 0, 
         x1 = myscale * heads[,choices[1]], 
         y1 = myscale * heads[,choices[2]], col=color, length = arrow_heads)
  text(myscale * heads[,choices], labels = row.names(heads), 
       cex = tex, col=color, pos=3)
}

# target classes as numeric
classes <- as.numeric(train$crime)

# plot the lda results
plot(lda.fit, dimen = 2, col=classes, pch=classes)
lda.arrows(lda.fit, myscale = 1)

4.5 Predict

Save the crime categories from the test set and then remove the categorical crime variable from the test dataset. Then predict the classes with the LDA model on the test data. Cross tabulate the results with the crime categories from the test set. Comment on the results. (0-3 points)

# lda.fit, correct_classes and test are available

# predict classes with test data
lda.pred <- predict(lda.fit, newdata = test)

# cross tabulate the results
table(correct = correct_classes, predicted = lda.pred$class)

##                  predicted
## correct           [-0.419,-0.411] (-0.411,-0.39] (-0.39,0.00739] (0.00739,9.92]
##   [-0.419,-0.411]              15              6               3              0
##   (-0.411,-0.39]                6             15               7              0
##   (-0.39,0.00739]               0              2              18              0
##   (0.00739,9.92]                0              0               1             29

4.6 Distances and clustering

Reload the Boston dataset and standardize the dataset (we did not do this in the Datacamp exercises, but you should scale the variables to get comparable distances). Calculate the distances between the observations. Run k-means algorithm on the dataset. Investigate what is the optimal number of clusters and run the algorithm again. Visualize the clusters (for example with the pairs() or ggpairs() functions, where the clusters are separated with colors) and interpret the results. (0-4 points)

# load MASS and Boston
library(MASS)
data('Boston')

# euclidean distance matrix
dist_eu <- dist(Boston)

# look at the summary of the distances
summary(dist_eu)

##    Min. 1st Qu.  Median    Mean 3rd Qu.    Max. 
##   1.119  85.624 170.539 226.315 371.950 626.047

# manhattan distance matrix
dist_man <- dist(Boston,method="manhattan")

# look at the summary of the distances
summary(dist_man)

##     Min.  1st Qu.   Median     Mean  3rd Qu.     Max. 
##    2.016  149.145  279.505  342.899  509.707 1198.265

4.7 k-means

Bonus: Perform k-means on the original Boston data with some reasonable number of clusters (> 2). Remember to standardize the dataset. Then perform LDA using the clusters as target classes. Include all the variables in the Boston data in the LDA model. Visualize the results with a biplot (include arrows representing the relationships of the original variables to the LDA solution). Interpret the results. Which variables are the most influencial linear separators for the clusters? (0-2 points to compensate any loss of points from the above exercises)

# Boston dataset is available
library(ggplot2)

# k-means clustering
km <-kmeans(Boston, centers = 3)

# plot the Boston dataset with clusters
pairs(Boston, col = km$cluster)

# MASS, ggplot2 and Boston dataset are available
set.seed(123)

# determine the number of clusters
k_max <- 10

# calculate the total within sum of squares
twcss <- sapply(1:k_max, function(k){kmeans(Boston, k)$tot.withinss})

# visualize the results
qplot(x = 1:k_max, y = twcss, geom = 'line')

# k-means clustering
km <-kmeans(Boston, centers = 2)

# plot the Boston dataset with clusters
pairs(Boston, col = km$cluster)

4.8 Bonus

Super-Bonus: Run the code below for the (scaled) train data that you used to fit the LDA. The code creates a matrix product, which is a projection of the data points.

model_predictors <- dplyr::select(train, -crime)

# check the dimensions
dim(model_predictors)

## [1] 404  13

dim(lda.fit$scaling)

## [1] 13  3

# matrix multiplication
matrix_product <- as.matrix(model_predictors) %*% lda.fit$scaling
matrix_product <- as.data.frame(matrix_product)

Next, install and access the plotly package. Create a 3D plot (Cool!) of the columns of the matrix product by typing the code below.

library(plotly)

## 
## Attaching package: 'plotly'

## The following object is masked from 'package:ggplot2':
## 
##     last_plot

## The following object is masked from 'package:MASS':
## 
##     select

## The following object is masked from 'package:stats':
## 
##     filter

## The following object is masked from 'package:graphics':
## 
##     layout

# Note! To install plotly in Linux, remember to install libcurl from terminal.
# * deb: libcurl4-openssl-dev (Debian, Ubuntu, etc)
# * rpm: libcurl-devel (Fedora, CentOS, RHEL)
# * csw: libcurl_dev (Solaris)
plot_ly(x = matrix_product$LD1, y = matrix_product$LD2, z = matrix_product$LD3, type= 'scatter3d', mode='markers')

## Warning: `arrange_()` is deprecated as of dplyr 0.7.0.
## Please use `arrange()` instead.
## See vignette('programming') for more help
## This warning is displayed once every 8 hours.
## Call `lifecycle::last_warnings()` to see where this warning was generated.

Adjust the code: add argument color as a argument in the plot_ly() function. Set the color to be the crime classes of the train set. Draw another 3D plot where the color is defined by the clusters of the k-means. How do the plots differ? Are there any similarities? (0-3 points to compensate any loss of points from the above exercises)